Bai Xian-Ming, Li Mo
School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0245, USA.
J Chem Phys. 2005 Oct 15;123(15):151102. doi: 10.1063/1.2085147.
The thermodynamic and kinetic behaviors for solid superheating and liquid supercooling were critically examined and compared via molecular-dynamics simulations. It is shown that the large elastic energy associated with internal melting and solid-liquid interface disorder play important roles in superheating. The growth rate is anisotropic for supercooling, but isotropic for superheating. Supercooling can be well described by the classical nucleation theory, whereas superheating shows many exceptions. The underlying mechanisms for these differences are discussed.
通过分子动力学模拟对固体过热和液体过冷的热力学和动力学行为进行了严格的研究和比较。结果表明,与内部熔化和固液界面无序相关的大弹性能量在过热中起重要作用。过冷的生长速率是各向异性的,而过热的生长速率是各向同性的。经典成核理论可以很好地描述过冷现象,而过热则有许多例外情况。文中讨论了这些差异的潜在机制。